CID 56936132

3z,6z,9z-pentacosatriene

Structural Information

Molecular Formula
C25H46
SMILES
CCCCCCCCCCCCCCC/C=C\C/C=C\C/C=C\CC
InChI
InChI=1S/C25H46/c1-3-5-7-9-11-13-15-17-19-21-23-25-24-22-20-18-16-14-12-10-8-6-4-2/h5,7,11,13,17,19H,3-4,6,8-10,12,14-16,18,20-25H2,1-2H3/b7-5-,13-11-,19-17-
InChIKey
AEARNXGXBHBSIY-JTBMWNAQSA-N
Compound name
(3Z,6Z,9Z)-pentacosa-3,6,9-triene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

346.35995 Da
Monoisotopic Mass

11.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.36723 199.6
[M+Na]+ 369.34917 200.2
[M-H]- 345.35267 196.6
[M+NH4]+ 364.39377 213.4
[M+K]+ 385.32311 193.2
[M+H-H2O]+ 329.35721 192.2
[M+HCOO]- 391.35815 217.8
[M+CH3COO]- 405.37380 220.1
[M+Na-2H]- 367.33462 196.8
[M]+ 346.35940 205.9
[M]- 346.36050 205.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe